SCHEMBL17443085

SCHEMBL17443085

NC(=O)c1nccc(-n2cccn2)c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CAPN1 P07384 1/20 0.40
EGLN1 Q9GZT9 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
KDM5A P29375 2/20 0.36
KDM2B Q8NHM5 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
ADRA1D P25100 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TPH1 P17752 1/20 0.36
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17443082 0.80 LMNA (0.40) LMNACAPN1EGLN1PLA2G10PLA2G2A
SCHEMBL7138981 0.76 PLA2G10 (0.45) LMNAPLA2G10PLA2G2AKDM5AKDM4C
SCHEMBL28954384 0.74 PLA2G10 (0.44) EGLN1PLA2G10PLA2G2ANR3C2KDM4E
SCHEMBL2190828 0.74 TP53 (0.40) LMNAMEN1MAPTKMT2A
SCHEMBL2884579 0.74 IRAK4 (0.45) LMNACAPN1ALDH1A1KDM4EMEN1
SCHEMBL30761115 0.74 IRAK4 (0.45) LMNACAPN1ALDH1A1KDM4EMEN1
SCHEMBL21438811 0.70 ALDH1A1 (0.40) LMNACAPN1ALDH1A1KDM4EMEN1
SCHEMBL21722361 0.70 HCRTR2 (0.44) LMNACAPN1KDM5BALDH1A1KDM4E
SCHEMBL3462235 0.69 PLA2G10 (0.50) LMNAPLA2G10PLA2G2AALDH1A1NR3C2
SCHEMBL3544059 0.68 NPC1 (0.49) LMNAADRA1DALDH1A1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 WO disclosed